2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate

C11H20O2Si — CID 160645931

IUPAC2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate
SMILESC#CC[C@@H](C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-7-10(2)11(12)13-8-9-14(3,4)5/h1,10H,7-9H2,2-5H3/t10-/m1/s1
InChIKeyPFHJXYCIBNOMMP-SNVBAGLBSA-N
MW212.36 g/mol
LogP2.53
Rot. Bonds5

About 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate

2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate (PubChem CID 160645931) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate.

Molecular Properties

Compound Name2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate
PubChem CID160645931
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate
SMILESC#CC[C@@H](C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-7-10(2)11(12)13-8-9-14(3,4)5/h1,10H,7-9H2,2-5H3/t10-/m1/s1
InChIKeyPFHJXYCIBNOMMP-SNVBAGLBSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
CID 59061501
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259
2-trimethylsilylethyl 2,4-dibromobutanoate
CID 13205256
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (2R)-2-(sulfanylmethyl)butanedioate
CID 159236421
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324
2-trimethylsilylethyl (2S,3R)-2-methyl-3-[(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxyoct-7-ynoate
CID 46180294
2-trimethylsilylethyl 2-ethylsulfanylcarbothioylsulfanylpropanoate
CID 102365144

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate?
The IUPAC name of 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate (CID 160645931) is 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate.
What is the SMILES notation for 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate?
The canonical SMILES for 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate is C#CC[C@@H](C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate?
The InChIKey is PFHJXYCIBNOMMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-7-10(2)11(12)13-8-9-14(3,4)5/h1,10H,7-9H2,2-5H3/t10-/m1/s1.
What are the key properties of 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate?
2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate has a molecular weight of 212.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate is sourced from PubChem (CID 160645931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).